In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2013 | 15 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.55 | 1.52 | -36.46 | 3 | 3 | 1 | 52 | 218.305 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.55 | 1.85 | -91.19 | 4 | 3 | 2 | 54 | 219.313 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.